8-(butylamino)-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(butylamino)-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(butylamino)-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0127 |
| Compound Name: | 8-(butylamino)-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 375.86 |
| Molecular Formula: | C18 H22 Cl N5 O2 |
| Smiles: | CCCCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2698 |
| logD: | 4.2696 |
| logSw: | -4.381 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.959 |
| InChI Key: | LJELLYVFIOVZQM-UHFFFAOYSA-N |